Inorganic compounds containing the −C≡N group are not called nitriles, but cyanides instead.3032-92-6, formula is C9H5N, Name is 4-Ethynylbenzonitrile. Though both nitriles and cyanides can be derived from cyanide salts, most nitriles are not nearly as toxic. HPLC of Formula: 3032-92-6.
Strauss, Marie E.;Santaloci, Taylor J.;Fortenberry, Ryan C. research published 《 Valence-, Dipole- and Quadropole-Bound Electronically Excited States of Closed-Shell Anions Formed by Deprotonation of Cyano- and Ethynyl-Disubstituted Polycyclic Aromatic Hydrocarbons》, the research content is summarized as follows. Dicyano-functionalized benzene and naphthalene anion derivatives exhibit a relatively rich population of electronically excited states in stark contrast to many assumptions regarding the photophysics of anions in general. The present work has quantum chem. analyzed the potential electronically excited states of closed-shell anions created by replacing hydrogen atoms with valence-bound lone pairs in benzene and naphthalene difunctionalized with combinations of -CN and -C2H. Dicyanobenzene anion derivatives can exhibit dipole-bound excited states as long as the cyano groups are not in para position to one another. This also extends to cyanoethynylbenzene anions as well as deprotonated dicyano- and cyanoethynylnaphthalene anion derivatives Diethynyl functionalization is less consistent. While large dipole moments are created in some cases for deprotonation on the -C2H group itself, the presence of electronically excited states beyond those that are dipole-bound is less consistent. Beyond these general trends, 2-dicyanonaphthalene-34 gives strong indication for exhibiting a quadrupole-bound excited state, and the 1-cyanoethynylnaphthalene-29 and -36 anion derivatives are shown to possess as many as two valence-bound excited states and one dipole-bound excited state. These photophys. properties may have an influence on regions where polycyclic aromatic hydrocarbons are known to exist such as in various astrochem. environments or even in combustion flames.
HPLC of Formula: 3032-92-6, 4-Ethynylbenzonitrile is a simple benzyl alkyne compound potentially useful as a synthetic fragment and as a test compound for cross-coupling protocols. 4-Ethynylbenzonitrile has been described as a model compound for studying hydrogen bond formation in multifunctional molecules, as it contains four hydrogen bonding sites of which three are π-acceptors.
4-Ethynylbenzonitrile is a useful research compound. Its molecular formula is C9H5N and its molecular weight is 127.14 g/mol. The purity is usually 95%., 3032-92-6.
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts